Related papers: Long-Range Charge Transport in Homogeneous and Alt…
Nonequilibrium electronic transport through a polymer chain is investigated by the scattering state operator method. The polymer chain is described by an electron-lattice coupling model and its two ends are connected with metal electrodes…
We propose an efficient approach for simultaneous prediction of thermal and electronic transport properties in complex materials. Firstly, a highly efficient machine-learned neuroevolution potential is trained using reference data from…
This thesis focuses on the mechanisms of energy transport in multidimensional heterogeneous lattice models, studying in particular the case of the Klein-Gordon model of coupled anharmonic oscillators in one and two spatial dimensions. We…
We calculate the conductance of atomic chains as a function of their length. Using the Density Matrix Renormalization Group algorithm for a many-body model which takes into account electron-electron interactions and the shape of the…
We present a technique to calculate the transport properties through one-dimensional models of molecular wires. The calculations include inelastic electron scattering due to electron-lattice interaction. The coupling between the electron…
While the spatial arrangement of individual units is essential for the physical implementation of quantum batteries, geometry-dependent interactions are rarely explicitly incorporated into existing theoretical models. To address this, we…
Inspired by some recent molecular dynamics (MD) simulations and experiments on suspended graphene nanoribbons, we study a simplified model where the atoms are disposed in a rectangular lattice coupled by nearest neighbor interactions which…
Many-body electron interactions are at the heart of chemistry and solid-state physics. Understanding these interactions is crucial for the development of molecular-scale quantum and nanoelectronic devices. Here, we investigate…
We study the non-equilibrium transport properties of a highly anisotropic two-dimensional lattice of spin-1/2 particles governed by a Heisenberg XXZ Hamiltonian. The anisotropy of the lattice allows us to approximate the system at finite…
Recent experiments in moir\'{e} transition metal dichalcogenide materials have reported the observation of a continuous bandwidth-tuned transition from a metal to a paramagnetic Mott insulator at a fixed filling of one electron per…
Strange metals are highly entangled gapless states of matter that exhibit anomalous transport, such as linear in temperature resistivity, over more than a decade of temperature. Why a single power law should be so robust is an open…
We study electronic transport in long DNA chains using the tight-binding approach for a ladder-like model of DNA. We find insulating behavior with localizaton lengths xi ~ 25 in units of average base-pair seperation. Furthermore, we observe…
We study heat conduction in a one-dimensional chain of particles with longitudinal as well as transverse motions. The particles are connected by two-dimensional harmonic springs together with bending angle interactions. Using equilibrium…
We study electron transport through a domain wall in a ferromagnetic nanowire subject to spin-dependent scattering. A scattering matrix formalism is developed to address both coherent and incoherent transport properties. The coherent case…
Understanding charge transport in strongly correlated systems remains a central challenge in condensed matter physics, particularly in light of the ubiquitous linear-in-$T$ resistivity observed in strange metals across many platforms from…
Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a short linear wire which is connected to para- and ferromagnetic electrodes. Molecule…
We study heat transport in a chain of harmonic oscillators with random elastic collisions between nearest-neighbours. The equations of motion of the covariance matrix are numerically solved for free and fixed boundary conditions. In the…
The charge carrier localization length {\alpha} is a crucial, yet often ignored parameter of conjugated polymers that exponentially influences electronic conductivity. Here, we argue it is a unique proxy of the energy landscape as…
The role of energy exchange between a quantum system and its environment is investigated from the perspective of the Onsager conductance matrix. We consider the thermoelectric linear transport of an interacting quantum dot coupled to two…
Long range charge transfer experiments in DNA oligomers and the subsequently measured -- and very diverse -- transport response of DNA wires in solid state experiments exemplifies the need for a thorough theoretical understanding of charge…